SCHEMBL6720536

SCHEMBL6720536

NCCCC(N)CCN(CCCN)CCCN

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
LCK P06239 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25270831 0.84 CASP2 (0.43)
SCHEMBL5145934 0.79 PLA2G1B (0.41) PLA2G1BPLA2G2AHTR2AHRH1LCK
SCHEMBL238918 0.79 NFKB1 (0.43) HTR2AHRH1
SCHEMBL23576160 0.78 PLA2G1B (0.55) PLA2G1BPLA2G2A
SCHEMBL9903439 0.76 TDP1 (0.41) PLA2G1BPLA2G2AHTR2AHRH1
SCHEMBL15208926 0.76 NFKB1 (0.40) HTR2AHRH1
SCHEMBL15208527 0.76 GSR (0.42) HTR2AHRH1
SCHEMBL1537408 0.76 NFKB1 (0.40) HTR2AHRH1
SCHEMBL29150449 0.76 NFKB1 (0.40) HTR2AHRH1
Hydrochloric Acid SCHEMBL28453117 0.76 NFKB1 (0.40) HTR2AHRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925660-A Organosilane coating composition and use thereof DUBLIN INST OF TECHNOLOGY 2010-12-22 CN disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed